Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- CCOC(=O)c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1
- InChIKey
- SWDVDDQIYQRMHZ-UHFFFAOYSA-N
- 分子式
- C16H25N3O4
- 平均分子量
- 323.39 g/mol
- 单同位素质量
- 323.18450629
COMPUTED
结构计算性质
- XLogP
- 1.8
- 极性表面积
- 73.7 Ų
- 氢键供体
- 0
- 氢键受体
- 5
- 可旋转键
- 6
- 重原子
- 23
- 形式电荷
- 0
- 复杂度
- 428
ALIASES
名称与别名
TERT-BUTYL 4-(4-(ETHOXYCARBONYL)-1H-PYRAZOL-1-YL)PIPERIDINE-1-CARBOXYLATE782493-64-5MFCD11501921tert-butyl 4-(4-ethoxycarbonylpyrazol-1-yl)piperidine-1-carboxylateSCHEMBL1336511TQP0076SWDVDDQIYQRMHZ-UHFFFAOYSA-NAR3344DA-02827CS-02001191,1-dimethylethyl 4-[4-(ethoxycarbonyl)-1H-pyrazol-1-yl]-1-piperidinecarboxylate4-(4-ethoxycarbonyl-pyrazol-1-yl)-piperidine-1-carboxylic acid tert-butyl esterTERT-BUTYL4-(4-(ETHOXYCARBONYL)-1H-PYRAZOL-1-YL)PIPERIDINE-1-CARBOXYLATE
REACTIONS